4-azanyl-2-bromanyl-benzenesulfonic acid; (sulfinoamino)methane

Systemtic Name: 4-azanyl-2-bromanyl-benzenesulfonic acid; (sulfinoamino)methane Openeye Name: 4-amino-2-bromo-benzenesulfonic acid; (sulfinoamino)methane CAS Name: 4-amino-2-bromobenzenesulfonic acid; (sulfinoamino)methane IUPAC Name: 4-amino-2-bromobenzenesulfonic acid; (sulfinoamino)methane Traditional Name: 4-amino-2-bromo-besylic acid; (sulfinoamino)methane Formula: C7H11BrN2O5S2 MolecularWeight: 347.20664

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)O.C1=CC(=C(C=C1N)Br)S(=O)(=O)O

Isomeric SMILES

CNS(=O)O.C1=CC(=C(C=C1N)Br)S(=O)(=O)O

InChI

InChI=1S/C6H6BrNO3S.CH5NO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11;1-2-5(3)4/h1-3H,8H2,(H,9,10,11);2H,1H3,(H,3,4)